pentyl 2-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(3-chlorobenzothiophene-2-carbonyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-(3-chloro-1-benzothiophene-2-carbonyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-chlorobenzothiophene-2-carbonyl)-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C20H23ClN2O4S MolecularWeight: 422.92562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H23ClN2O4S/c1-2-3-6-11-27-16(24)12-14-19(25)22-9-10-23(14)20(26)18-17(21)13-7-4-5-8-15(13)28-18/h4-5,7-8,14H,2-3,6,9-12H2,1H3,(H,22,25)